N-(4-bromo-3-nitrophenyl)-2-chloropropanamide

C9H8BrClN2O3 — CID 79768319

IUPACN-(4-bromo-3-nitrophenyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C9H8BrClN2O3/c1-5(11)9(14)12-6-2-3-7(10)8(4-6)13(15)16/h2-5H,1H3,(H,12,14)
InChIKeyNKABRORVGDIAJH-UHFFFAOYSA-N
MW307.53 g/mol
LogP2.92
Rot. Bonds3

About N-(4-bromo-3-nitrophenyl)-2-chloropropanamide

N-(4-bromo-3-nitrophenyl)-2-chloropropanamide (PubChem CID 79768319) has the molecular formula C9H8BrClN2O3 and a molecular weight of 307.53 g/mol. Its IUPAC name is N-(4-bromo-3-nitrophenyl)-2-chloropropanamide.

Molecular Properties

Compound NameN-(4-bromo-3-nitrophenyl)-2-chloropropanamide
PubChem CID79768319
Molecular FormulaC9H8BrClN2O3
Molecular Weight307.53 g/mol
Exact Mass305.94
IUPAC NameN-(4-bromo-3-nitrophenyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C9H8BrClN2O3/c1-5(11)9(14)12-6-2-3-7(10)8(4-6)13(15)16/h2-5H,1H3,(H,12,14)
InChIKeyNKABRORVGDIAJH-UHFFFAOYSA-N
XLogP2.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-(4-bromo-3-nitrophenyl)carbamate
CID 116656691
methyl N-(4-bromo-3-nitrophenyl)carbamate
CID 116656693
2-[(4-bromo-3-nitrophenyl)carbamoyl-methylamino]propanoic acid
CID 79767782
(2S)-2-amino-N-(3-bromo-4-nitrophenyl)propanamide
CID 82864467
N-(3-bromo-4-nitrophenyl)-3-chloro-2-methylpropanamide
CID 82864604
N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide
CID 79768002
N-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641755
2-amino-N-(4-chloro-3-nitrophenyl)propanamide
CID 43708462
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-nitroaniline
CID 79767910
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
N-(4-bromo-3-nitrophenyl)-2-ethoxyacetamide
CID 79767714
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-bromo-3-nitrobenzoate
CID 7725908

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-nitrophenyl)-2-chloropropanamide?
The IUPAC name of N-(4-bromo-3-nitrophenyl)-2-chloropropanamide (CID 79768319) is N-(4-bromo-3-nitrophenyl)-2-chloropropanamide.
What is the SMILES notation for N-(4-bromo-3-nitrophenyl)-2-chloropropanamide?
The canonical SMILES for N-(4-bromo-3-nitrophenyl)-2-chloropropanamide is CC(Cl)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-bromo-3-nitrophenyl)-2-chloropropanamide?
The InChIKey is NKABRORVGDIAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O3/c1-5(11)9(14)12-6-2-3-7(10)8(4-6)13(15)16/h2-5H,1H3,(H,12,14).
What are the key properties of N-(4-bromo-3-nitrophenyl)-2-chloropropanamide?
N-(4-bromo-3-nitrophenyl)-2-chloropropanamide has a molecular weight of 307.53 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-nitrophenyl)-2-chloropropanamide is sourced from PubChem (CID 79768319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).